==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/RNA 06-JUL-09 3I61 . COMPND 2 MOLECULE: ATP-DEPENDENT RNA HELICASE MSS116; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR M.DEL CAMPO,A.M.LAMBOWITZ . 509 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21837.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 369 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 32 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 179 35.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 3 2 1 1 0 3 0 1 1 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 6 5 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 88 A S 0 0 82 0, 0.0 2,-0.5 0, 0.0 236,-0.2 0.000 360.0 360.0 360.0 152.7 95.0 35.1 25.6 2 89 A K E -a 237 0A 126 234,-1.9 236,-2.9 1,-0.1 2,-0.6 -0.521 360.0-152.6 -79.1 116.8 93.0 36.2 28.6 3 90 A L E -a 238 0A 36 -2,-0.5 2,-0.7 234,-0.2 236,-0.2 -0.791 6.8-160.6 -89.8 118.2 89.5 34.8 28.8 4 91 A I E -a 239 0A 51 234,-3.4 236,-2.7 -2,-0.6 2,-0.4 -0.882 9.8-147.6-104.7 107.6 87.1 37.0 30.7 5 92 A H E -a 240 0A 96 -2,-0.7 236,-0.2 234,-0.2 234,-0.1 -0.584 17.4-178.2 -73.9 127.3 84.0 35.2 31.9 6 93 A V E -a 241 0A 52 234,-2.5 236,-2.1 -2,-0.4 3,-0.1 -0.826 23.1-160.8-121.1 90.3 80.7 37.1 32.1 7 94 A P - 0 0 89 0, 0.0 2,-0.1 0, 0.0 238,-0.1 -0.116 33.0 -71.4 -73.3 166.7 78.3 34.5 33.5 8 95 A K - 0 0 93 236,-0.3 2,-0.4 1,-0.0 235,-0.1 -0.364 51.9-155.8 -56.9 124.4 74.5 34.4 33.4 9 96 A E - 0 0 58 233,-0.2 3,-0.4 1,-0.2 -1,-0.0 -0.902 10.2-158.8-109.6 136.6 73.2 37.1 35.7 10 97 A D S S+ 0 0 109 -2,-0.4 2,-0.7 1,-0.2 -1,-0.2 0.980 84.5 33.1 -76.2 -60.9 69.7 36.9 37.3 11 98 A N S S+ 0 0 107 2,-0.0 2,-0.3 3,-0.0 -1,-0.2 -0.418 80.1 139.1-103.7 56.9 68.8 40.5 38.3 12 99 A S - 0 0 86 -2,-0.7 2,-0.1 -3,-0.4 -3,-0.0 -0.739 61.4 -92.8 -97.5 149.5 70.5 42.6 35.6 13 100 A K - 0 0 92 -2,-0.3 2,-0.1 1,-0.1 -1,-0.1 -0.337 46.1-106.7 -65.2 136.6 68.8 45.7 34.1 14 101 A E - 0 0 129 -2,-0.1 2,-0.4 1,-0.0 -1,-0.1 -0.391 27.2-146.4 -67.5 134.5 66.9 45.0 30.8 15 102 A V + 0 0 38 27,-0.1 27,-0.4 -2,-0.1 2,-0.3 -0.873 22.7 178.6 -99.3 134.4 68.5 46.3 27.6 16 103 A T > - 0 0 45 -2,-0.4 4,-2.2 25,-0.1 5,-0.2 -0.812 44.6-106.8-127.4 168.5 66.1 47.4 24.9 17 104 A L H > S+ 0 0 26 -2,-0.3 4,-2.2 2,-0.2 9,-0.2 0.908 123.2 49.9 -59.1 -43.0 66.3 48.9 21.4 18 105 A D H > S+ 0 0 104 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.902 109.9 49.6 -61.5 -43.7 65.2 52.3 22.8 19 106 A S H > S+ 0 0 42 2,-0.2 4,-2.0 1,-0.2 6,-0.2 0.885 112.0 47.5 -66.7 -39.9 67.8 52.1 25.6 20 107 A L H X>S+ 0 0 3 -4,-2.2 5,-1.9 2,-0.2 6,-1.4 0.871 114.4 48.5 -67.1 -36.7 70.6 51.2 23.2 21 108 A L H ><5S+ 0 0 63 -4,-2.2 3,-1.1 4,-0.2 -2,-0.2 0.956 112.3 47.1 -63.3 -52.5 69.4 54.1 20.9 22 109 A E H 3<5S+ 0 0 114 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.849 110.9 52.7 -59.7 -36.9 69.2 56.6 23.9 23 110 A E H 3<5S- 0 0 104 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.639 115.3-116.9 -73.4 -16.9 72.7 55.5 25.0 24 111 A G T <<5S+ 0 0 61 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.1 0.536 85.2 114.8 90.3 8.6 74.1 56.2 21.5 25 112 A V S - 0 0 60 -2,-0.4 4,-1.9 1,-0.1 3,-0.3 -0.396 29.0-110.7 -75.6 159.3 71.8 54.5 15.2 28 115 A K H > S+ 0 0 47 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.830 113.6 60.7 -58.4 -33.4 68.2 55.4 14.4 29 116 A E H > S+ 0 0 67 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.850 109.4 37.9 -72.6 -36.6 68.3 53.5 11.1 30 117 A I H > S+ 0 0 0 -3,-0.3 4,-2.2 2,-0.2 5,-0.3 0.837 114.6 56.4 -77.9 -36.1 69.0 50.0 12.6 31 118 A H H X S+ 0 0 28 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.946 107.9 49.8 -54.0 -51.6 66.7 50.8 15.5 32 119 A K H X S+ 0 0 74 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.913 109.5 50.4 -49.2 -53.5 64.0 51.5 13.0 33 120 A A H < S+ 0 0 0 -4,-1.3 4,-0.4 1,-0.2 -1,-0.2 0.911 115.6 40.0 -59.8 -47.6 64.6 48.2 11.1 34 121 A I H >< S+ 0 0 3 -4,-2.2 3,-1.4 1,-0.2 5,-0.5 0.892 111.5 57.7 -73.7 -37.5 64.5 45.9 14.1 35 122 A T H >< S+ 0 0 62 -4,-2.7 3,-2.3 -5,-0.3 -2,-0.2 0.907 100.2 58.1 -57.6 -42.0 61.6 47.8 15.8 36 123 A R T 3< S+ 0 0 129 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.619 91.8 69.2 -68.3 -12.2 59.4 47.2 12.7 37 124 A M T < S- 0 0 37 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.605 99.8-141.7 -75.5 -13.6 59.9 43.4 13.2 38 125 A E < + 0 0 168 -3,-2.3 -3,-0.1 -4,-0.3 -2,-0.1 0.863 32.2 172.6 55.5 45.0 57.7 44.0 16.3 39 126 A F - 0 0 92 -5,-0.5 -1,-0.2 1,-0.1 3,-0.1 -0.631 42.3-121.2 -75.0 141.7 59.5 41.6 18.7 40 127 A P S S- 0 0 143 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.913 81.3 -43.0 -51.8 -48.1 58.3 41.8 22.3 41 128 A G S S- 0 0 33 -25,-0.1 2,-0.3 -24,-0.0 -25,-0.1 -0.865 80.1 -61.0-156.8-167.3 61.8 42.7 23.4 42 129 A L - 0 0 11 -27,-0.4 -27,-0.1 -2,-0.3 28,-0.1 -0.710 55.2-115.7 -84.6 140.1 65.4 41.7 22.8 43 130 A T > - 0 0 39 -2,-0.3 4,-2.7 27,-0.1 5,-0.2 -0.286 32.8-101.0 -68.3 161.0 66.3 38.1 23.6 44 131 A P H > S+ 0 0 87 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.895 123.4 50.4 -52.7 -44.7 68.9 37.6 26.4 45 132 A V H > S+ 0 0 0 24,-0.4 4,-2.0 1,-0.2 5,-0.2 0.901 111.9 48.6 -63.3 -38.1 71.7 36.9 24.0 46 133 A Q H > S+ 0 0 8 23,-0.4 4,-1.8 -3,-0.2 -1,-0.2 0.933 111.7 48.7 -64.3 -46.4 70.9 40.1 22.1 47 134 A Q H < S+ 0 0 46 -4,-2.7 4,-0.4 1,-0.2 -2,-0.2 0.887 116.9 43.5 -58.6 -39.0 70.7 42.1 25.3 48 135 A K H < S+ 0 0 43 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.806 120.4 34.7 -79.6 -31.1 74.1 40.7 26.5 49 136 A T H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 5,-0.2 0.706 93.4 78.2-104.2 -23.5 76.1 40.9 23.3 50 137 A I H X S+ 0 0 0 -4,-1.8 4,-1.4 -5,-0.2 -3,-0.1 0.931 100.2 39.0 -61.9 -52.2 75.2 44.0 21.2 51 138 A K H > S+ 0 0 104 -4,-0.4 4,-0.8 1,-0.2 -1,-0.2 0.927 115.9 50.5 -66.6 -46.5 77.1 46.7 23.2 52 139 A P H >4 S+ 0 0 30 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.888 107.7 53.5 -60.7 -37.9 80.2 44.6 23.9 53 140 A I H 3< S+ 0 0 2 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.1 0.890 114.1 43.1 -60.4 -38.3 80.6 43.6 20.2 54 141 A L H 3< S+ 0 0 30 -4,-1.4 -1,-0.2 -5,-0.2 -3,-0.1 0.514 89.5 121.9 -83.8 -6.6 80.5 47.3 19.3 55 142 A S << - 0 0 34 -4,-0.8 4,-0.2 -3,-0.7 -30,-0.0 -0.234 69.3-128.9 -62.2 145.6 82.8 48.4 22.2 56 143 A S S S+ 0 0 124 2,-0.1 -1,-0.1 0, 0.0 2,-0.1 0.414 74.0 116.7 -75.7 3.0 86.0 50.2 21.3 57 144 A E S S- 0 0 103 -5,-0.2 2,-1.5 1,-0.1 0, 0.0 -0.351 77.9-114.5 -70.4 154.8 87.9 47.7 23.4 58 145 A D S S+ 0 0 67 -2,-0.1 179,-0.8 155,-0.0 2,-0.3 -0.601 71.0 121.7 -92.5 73.2 90.5 45.4 21.8 59 146 A H E -b 237 0A 2 -2,-1.5 179,-0.2 -4,-0.2 2,-0.2 -0.966 55.6-134.7-138.1 153.8 88.7 42.1 22.4 60 147 A D E -b 238 0A 0 177,-2.3 179,-2.8 -2,-0.3 2,-0.4 -0.598 29.3-134.2 -92.3 164.7 87.2 39.0 20.7 61 148 A V E -bc 239 215A 1 153,-2.3 155,-2.7 -2,-0.2 2,-0.4 -0.989 18.0-172.7-130.2 130.6 83.8 37.7 21.7 62 149 A I E -bc 240 216A 0 177,-3.3 179,-3.1 -2,-0.4 2,-0.4 -0.985 14.9-172.5-115.3 131.1 82.5 34.2 22.5 63 150 A A E -bc 241 217A 0 153,-3.1 155,-1.7 -2,-0.4 2,-0.5 -0.985 10.6-170.0-132.2 125.8 78.7 33.9 23.1 64 151 A R E +bc 242 218A 13 177,-1.6 179,-1.9 -2,-0.4 2,-0.3 -0.956 20.1 150.9-110.9 129.1 76.7 30.9 24.2 65 152 A A - 0 0 0 153,-1.2 3,-0.1 -2,-0.5 4,-0.1 -0.969 45.7 -94.9-153.5 147.6 72.9 30.9 24.1 66 153 A K > - 0 0 16 -2,-0.3 3,-1.2 1,-0.1 5,-0.2 -0.024 56.1 -74.5 -62.9 161.8 70.3 28.1 23.7 67 154 A T T 3 S+ 0 0 3 183,-0.4 -1,-0.1 1,-0.2 316,-0.1 -0.232 113.8 14.4 -56.1 139.3 68.8 27.1 20.3 68 155 A G T 3 S+ 0 0 13 314,-0.1 315,-2.0 -3,-0.1 -1,-0.2 0.610 88.5 117.2 75.3 16.8 66.2 29.5 18.8 69 156 A T S < S- 0 0 29 -3,-1.2 -24,-0.4 313,-0.1 -23,-0.4 0.148 90.4 -89.5-110.2 16.7 66.9 32.4 21.1 70 157 A G > + 0 0 24 -25,-0.1 4,-1.7 -26,-0.1 3,-0.2 0.726 69.0 148.2 94.9 27.0 68.1 35.0 18.5 71 158 A K H > S+ 0 0 19 -5,-0.2 4,-1.1 1,-0.2 5,-0.2 0.825 70.6 63.8 -58.6 -32.3 71.9 34.6 18.1 72 159 A T H >> S+ 0 0 30 1,-0.2 4,-2.3 2,-0.2 3,-1.0 0.957 107.9 37.8 -60.4 -52.9 71.6 35.6 14.4 73 160 A F H 3> S+ 0 0 17 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.800 104.1 73.2 -70.5 -26.7 70.4 39.2 15.1 74 161 A A H 3< S+ 0 0 0 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.810 113.6 25.2 -52.5 -33.7 72.7 39.2 18.1 75 162 A F H S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.864 112.5 58.5 -65.2 -31.8 76.1 45.2 15.8 79 166 A I H X S+ 0 0 2 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.957 108.2 45.3 -59.1 -49.4 77.5 44.4 12.3 80 167 A F H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.889 111.7 53.0 -57.9 -41.9 75.1 46.9 10.7 81 168 A Q H X S+ 0 0 5 -4,-2.0 4,-3.1 1,-0.2 -1,-0.2 0.894 107.0 51.4 -62.2 -41.1 75.9 49.4 13.4 82 169 A H H X S+ 0 0 28 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.872 108.9 51.5 -63.0 -37.0 79.6 49.1 12.7 83 170 A L H < S+ 0 0 1 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.880 112.4 45.8 -66.6 -38.5 78.9 49.7 9.0 84 171 A I H >< S+ 0 0 19 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.918 110.1 54.4 -67.4 -44.5 76.9 52.8 9.8 85 172 A N H 3< S+ 0 0 97 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.809 121.5 29.8 -57.6 -34.4 79.7 54.0 12.2 86 173 A T T >< S+ 0 0 26 -4,-1.6 3,-2.2 -5,-0.2 -1,-0.3 -0.026 80.1 135.0-115.2 28.1 82.3 53.7 9.5 87 174 A K T < S+ 0 0 72 -3,-1.4 -1,-0.1 1,-0.3 -2,-0.1 0.693 71.2 49.5 -60.2 -24.6 80.0 54.4 6.5 88 175 A F T 3 S+ 0 0 168 -3,-0.2 2,-0.5 -4,-0.2 -1,-0.3 0.493 97.1 83.5 -91.3 -4.0 82.5 56.9 4.8 89 176 A D S < S- 0 0 99 -3,-2.2 4,-0.2 1,-0.2 -3,-0.1 -0.880 111.4 -20.5-105.8 129.3 85.5 54.6 5.0 90 177 A S S > S+ 0 0 43 -2,-0.5 3,-2.0 1,-0.1 -1,-0.2 0.854 76.9 173.3 50.4 45.8 86.3 51.8 2.5 91 178 A Q T 3 S+ 0 0 92 1,-0.3 -1,-0.1 -3,-0.2 4,-0.1 0.616 70.1 51.2 -70.0 -16.0 82.6 51.9 1.4 92 179 A Y T 3 S+ 0 0 143 2,-0.1 -1,-0.3 58,-0.1 2,-0.3 0.222 98.6 92.5 -98.0 11.5 83.0 49.4 -1.5 93 180 A M S < S- 0 0 39 -3,-2.0 2,-0.4 -4,-0.2 78,-0.1 -0.760 83.6-102.8-115.1 153.1 84.8 46.8 0.7 94 181 A V + 0 0 0 76,-2.2 79,-0.4 -2,-0.3 56,-0.2 -0.599 37.8 170.1 -72.5 121.8 83.8 43.8 2.7 95 182 A K + 0 0 7 55,-2.4 80,-2.5 -2,-0.4 81,-2.1 0.622 64.5 39.5-106.0 -21.5 83.9 44.7 6.4 96 183 A A E -de 151 176A 2 54,-1.9 56,-2.5 79,-0.2 2,-0.5 -0.996 59.8-167.9-135.4 129.4 82.2 41.6 7.9 97 184 A V E -de 152 177A 0 79,-2.3 81,-2.9 -2,-0.4 2,-0.5 -0.977 7.5-167.9-116.4 121.4 82.7 38.0 7.0 98 185 A I E -de 153 178A 0 54,-2.7 56,-2.6 -2,-0.5 2,-0.4 -0.939 5.9-163.3-113.4 123.4 80.2 35.5 8.4 99 186 A V E -de 154 179A 2 79,-3.2 81,-2.4 -2,-0.5 56,-0.2 -0.901 8.5-179.7-113.3 138.3 81.0 31.8 8.1 100 187 A A - 0 0 0 54,-2.1 81,-0.1 -2,-0.4 6,-0.1 -0.948 33.2-126.1-134.5 152.6 78.6 28.8 8.5 101 188 A P S S+ 0 0 16 0, 0.0 2,-0.3 0, 0.0 54,-0.1 0.593 92.3 42.6 -77.2 -14.7 79.0 25.0 8.3 102 189 A T S > S- 0 0 23 1,-0.1 4,-2.0 52,-0.1 5,-0.1 -0.970 74.9-130.0-131.0 153.1 76.2 24.4 5.7 103 190 A R H > S+ 0 0 78 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.882 108.5 53.7 -64.7 -41.3 75.2 26.3 2.6 104 191 A D H > S+ 0 0 4 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.857 108.7 49.4 -65.2 -37.6 71.5 26.4 3.6 105 192 A L H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.907 110.9 49.4 -67.4 -42.2 72.4 28.0 6.9 106 193 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.920 112.7 48.1 -60.5 -41.7 74.6 30.6 5.2 107 194 A L H X S+ 0 0 35 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.826 109.5 53.6 -69.3 -30.2 71.7 31.3 2.8 108 195 A Q H X S+ 0 0 9 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.924 107.5 49.6 -66.4 -45.3 69.4 31.6 5.8 109 196 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.899 109.6 52.3 -62.5 -40.3 71.6 34.2 7.4 110 197 A E H X S+ 0 0 16 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.882 107.0 52.8 -58.8 -41.7 71.7 36.1 4.1 111 198 A A H X S+ 0 0 43 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.835 106.6 53.3 -64.0 -32.6 67.9 36.0 4.1 112 199 A E H X S+ 0 0 18 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.889 106.9 50.9 -69.7 -39.1 67.9 37.5 7.6 113 200 A V H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.905 108.8 53.1 -59.0 -42.0 70.1 40.4 6.4 114 201 A K H X S+ 0 0 106 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.846 102.2 57.5 -64.3 -34.6 67.6 40.9 3.6 115 202 A K H X S+ 0 0 99 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.879 106.2 50.3 -61.6 -37.0 64.7 41.1 6.2 116 203 A I H X S+ 0 0 0 -4,-1.4 4,-1.1 2,-0.2 3,-0.4 0.926 109.5 51.1 -64.4 -45.8 66.6 44.0 7.8 117 204 A H H < S+ 0 0 17 -4,-2.0 6,-0.3 1,-0.2 3,-0.3 0.870 109.6 50.8 -55.6 -40.2 66.9 45.7 4.3 118 205 A D H < S+ 0 0 83 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.744 106.4 53.5 -74.7 -24.6 63.2 45.2 3.8 119 206 A M H < S+ 0 0 61 -4,-1.2 -1,-0.2 -3,-0.4 2,-0.2 0.650 127.9 18.0 -83.8 -19.8 62.3 46.8 7.2 120 207 A N >< - 0 0 11 -4,-1.1 3,-2.5 -3,-0.3 -1,-0.3 -0.711 62.8-165.3-150.7 102.6 64.4 49.9 6.3 121 208 A Y G > S+ 0 0 170 -3,-0.3 3,-1.7 1,-0.3 4,-0.3 0.731 86.2 76.2 -56.5 -25.6 65.3 50.5 2.6 122 209 A G G 3 S+ 0 0 40 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.672 90.0 57.8 -56.6 -18.8 67.9 53.1 3.9 123 210 A L G X S+ 0 0 1 -3,-2.5 3,-1.9 -6,-0.3 -1,-0.3 0.519 76.8 90.8 -93.9 -5.2 70.1 50.0 4.9 124 211 A K T < S+ 0 0 96 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.783 73.0 72.2 -59.1 -27.1 70.2 48.6 1.3 125 212 A K T 3 S+ 0 0 130 -3,-0.4 2,-1.2 -4,-0.3 -1,-0.3 0.707 84.9 70.6 -60.5 -22.6 73.4 50.6 0.8 126 213 A Y S < S- 0 0 12 -3,-1.9 -1,-0.2 23,-0.1 22,-0.1 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1,-0.2 3,-1.3 -0.882 22.4-156.0 -90.7 109.3 80.4 -2.2 22.4 461 548 A E H 3> S+ 0 0 75 -2,-0.8 4,-1.7 1,-0.3 -1,-0.2 0.873 89.9 59.1 -52.7 -43.9 81.7 -3.0 18.8 462 549 A R H 34 S+ 0 0 167 1,-0.2 -1,-0.3 2,-0.1 5,-0.0 0.710 118.0 31.0 -63.7 -22.0 80.9 -6.7 19.2 463 550 A R H <> S+ 0 0 134 -3,-1.3 4,-1.8 3,-0.1 -2,-0.2 0.841 118.8 47.9-100.3 -47.6 77.2 -5.9 19.8 464 551 A I H X S+ 0 0 1 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.896 109.3 51.2 -66.3 -41.7 76.5 -2.7 17.8 465 552 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.3 -1,-0.2 0.916 112.4 43.8 -69.3 -44.2 78.0 -3.6 14.5 466 553 A P H > S+ 0 0 28 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.902 113.4 53.6 -62.4 -39.5 76.3 -7.1 14.1 467 554 A E H X S+ 0 0 19 -4,-1.8 4,-0.5 2,-0.2 -201,-0.2 0.941 111.0 45.1 -59.1 -48.1 73.0 -5.5 15.2 468 555 A I H >< S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.2 4,-0.2 0.934 113.9 49.8 -61.0 -45.8 73.3 -2.7 12.5 469 556 A A H >< S+ 0 0 5 -4,-2.4 3,-2.0 1,-0.3 4,-0.4 0.845 99.2 66.2 -60.9 -35.6 74.3 -5.3 9.9 470 557 A S H 3X S+ 0 0 30 -4,-2.4 4,-2.0 1,-0.3 3,-0.3 0.668 79.4 82.3 -64.0 -17.7 71.3 -7.5 10.8 471 558 A T H S+ 0 0 14 -3,-2.0 4,-1.5 -4,-0.2 -1,-0.2 0.942 105.7 41.9 -60.7 -50.9 69.8 -6.3 6.0 473 560 A G H 4>S+ 0 0 0 -4,-0.4 5,-3.3 8,-0.4 -2,-0.2 0.861 113.8 53.1 -63.6 -38.7 68.1 -9.6 7.0 474 561 A V H ><5S+ 0 0 12 -4,-2.0 3,-1.6 3,-0.2 -2,-0.2 0.944 109.7 47.2 -63.3 -48.5 65.2 -7.7 8.7 475 562 A L H 3<5S+ 0 0 12 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.794 114.5 47.1 -65.1 -29.3 64.5 -5.6 5.7 476 563 A L T 3<5S- 0 0 63 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.311 114.8-120.9 -89.7 7.0 64.6 -8.7 3.4 477 564 A N T < 5S+ 0 0 113 -3,-1.6 -3,-0.2 1,-0.1 -2,-0.1 0.814 83.9 106.1 56.8 35.7 62.3 -10.5 6.0 478 565 A D > < - 0 0 62 -5,-3.3 3,-2.0 -6,-0.1 -2,-0.1 -0.729 49.9-169.3-143.4 89.8 65.0 -13.3 6.6 479 566 A P T 3 S+ 0 0 112 0, 0.0 -6,-0.2 0, 0.0 -5,-0.2 0.693 84.5 53.4 -56.1 -28.1 66.7 -12.9 10.0 480 567 A Q T 3 S+ 0 0 175 -7,-0.1 2,-0.3 2,-0.1 -6,-0.0 0.521 84.0 109.3 -87.1 -3.1 69.4 -15.5 9.4 481 568 A L < - 0 0 68 -3,-2.0 -8,-0.4 -11,-0.1 2,-0.2 -0.548 54.3-157.7 -77.0 131.4 70.5 -13.8 6.1 482 569 A K - 0 0 70 -2,-0.3 23,-0.2 -10,-0.1 22,-0.1 -0.664 30.4 -88.9-103.5 165.1 74.0 -12.1 6.2 483 570 A I E -n 505 0C 1 21,-1.9 23,-2.1 -2,-0.2 2,-0.3 -0.616 41.3-130.3 -78.5 118.1 75.3 -9.3 3.9 484 571 A P E +n 506 0C 49 0, 0.0 2,-0.3 0, 0.0 23,-0.2 -0.534 43.8 149.7 -73.4 127.2 77.0 -10.8 0.8 485 572 A V E -n 507 0C 15 21,-2.1 23,-0.6 -2,-0.3 2,-0.2 -0.878 41.4-103.8-145.8 173.4 80.5 -9.3 0.2 486 573 A S > - 0 0 49 -2,-0.3 4,-2.1 21,-0.2 5,-0.2 -0.669 29.2-116.5-102.3 160.9 83.9 -10.1 -1.2 487 574 A R H > S+ 0 0 123 -2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.891 115.8 55.3 -63.4 -40.6 87.1 -10.8 0.7 488 575 A R H > S+ 0 0 97 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.860 107.9 50.2 -60.7 -36.7 88.8 -7.7 -0.7 489 576 A F H > S+ 0 0 64 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.933 111.3 47.1 -65.6 -47.3 85.9 -5.6 0.6 490 577 A L H X>S+ 0 0 8 -4,-2.1 4,-2.0 1,-0.2 5,-1.8 0.908 111.4 52.4 -60.8 -43.2 86.2 -7.2 4.1 491 578 A D H <5S+ 0 0 82 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.903 109.4 49.3 -55.8 -46.6 90.0 -6.6 4.0 492 579 A K H <5S+ 0 0 82 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.937 112.5 47.3 -58.8 -48.3 89.4 -2.9 3.2 493 580 A L H <5S- 0 0 32 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.782 111.2-124.8 -65.4 -30.5 86.9 -2.6 6.0 494 581 A G T <5S+ 0 0 50 -4,-2.0 -3,-0.2 -5,-0.2 -4,-0.1 0.754 81.9 103.7 92.2 29.4 89.4 -4.3 8.4 495 582 A L > < + 0 0 6 -5,-1.8 3,-1.0 1,-0.1 6,-0.2 0.112 37.1 113.8-125.6 20.2 87.1 -7.1 9.7 496 583 A S T 3 S+ 0 0 40 -6,-0.5 -5,-0.1 1,-0.3 -1,-0.1 0.704 87.0 32.5 -72.7 -22.2 88.5 -10.1 7.7 497 584 A R T 3 S+ 0 0 235 -7,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.175 100.0 105.9-115.6 15.5 89.8 -12.1 10.7 498 585 A S <> - 0 0 33 -3,-1.0 4,-1.7 1,-0.1 5,-0.1 -0.738 66.2-143.0-102.2 142.1 87.2 -10.9 13.2 499 586 A P H > S+ 0 0 108 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.795 107.9 60.3 -64.5 -28.3 84.3 -12.9 14.7 500 587 A I H > S+ 0 0 21 2,-0.2 4,-0.8 1,-0.2 3,-0.3 0.938 105.5 46.8 -60.5 -48.4 82.4 -9.6 14.5 501 588 A G H >> S+ 0 0 0 1,-0.2 4,-2.2 -6,-0.2 3,-0.6 0.864 108.7 53.9 -61.6 -40.7 83.0 -9.6 10.7 502 589 A K H 3< S+ 0 0 105 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.796 107.1 52.4 -65.3 -30.4 81.9 -13.2 10.4 503 590 A A H 3< S+ 0 0 59 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.693 116.8 39.3 -76.2 -19.6 78.6 -12.4 12.2 504 591 A M H << S+ 0 0 3 -4,-0.8 -21,-1.9 -3,-0.6 2,-0.3 0.799 115.3 39.7 -97.6 -37.1 77.9 -9.5 9.8 505 592 A F E < -n 483 0C 5 -4,-2.2 2,-0.5 -23,-0.2 -1,-0.1 -0.841 54.2-150.7-126.3 151.7 78.9 -10.7 6.4 506 593 A E E -n 484 0C 76 -23,-2.1 2,-2.1 -2,-0.3 -21,-2.1 -0.994 26.9-130.8-118.5 124.7 78.9 -13.8 4.2 507 594 A I E +n 485 0C 89 -2,-0.5 2,-1.1 -23,-0.2 -21,-0.2 -0.513 40.0 164.1 -78.1 78.4 81.8 -14.1 1.7 508 595 A R 0 0 183 -2,-2.1 -1,-0.1 -23,-0.6 -2,-0.1 -0.722 360.0 360.0 -96.4 77.7 79.7 -14.8 -1.4 509 596 A D 0 0 121 -2,-1.1 -1,-0.1 -23,-0.0 -23,-0.1 0.604 360.0 360.0 -99.2 360.0 82.3 -14.1 -4.0